CID 16227643

1153151-54-2

Structural Information

Molecular Formula

C₉H₇ClF₂N₂

SMILES

C1=CC=C2C(=C1)N=C(N2C(F)F)CCl

InChI

InChI=1S/C9H7ClF2N2/c10-5-8-13-6-3-1-2-4-7(6)14(8)9(11)12/h1-4,9H,5H2

InChIKey

LOSUQGGSSQITBS-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-1-(difluoromethyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.02658 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.03386	138.4
[M+Na]+	239.01580	150.7
[M-H]-	215.01930	138.2
[M+NH4]+	234.06040	158.4
[M+K]+	254.98974	145.3
[M+H-H2O]+	199.02384	130.1
[M+HCOO]-	261.02478	154.6
[M+CH3COO]-	275.04043	151.8
[M+Na-2H]-	237.00125	143.8
[M]+	216.02603	140.2
[M]-	216.02713	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.